Home Cart 0 Sign in  
X

[ CAS No. 1956341-24-4 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
3d Animation Molecule Structure of 1956341-24-4
Chemical Structure| 1956341-24-4
Chemical Structure| 1956341-24-4
Structure of 1956341-24-4 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 1956341-24-4 ]

Related Doc. of [ 1956341-24-4 ]

Alternatived Products of [ 1956341-24-4 ]
Product Citations

Product Details of [ 1956341-24-4 ]

CAS No. :1956341-24-4 MDL No. :MFCD29059327
Formula : C10H10N2 Boiling Point : -
Linear Structure Formula :- InChI Key :UVRSQUYBSAOHLL-UHFFFAOYSA-N
M.W : 158.20 Pubchem ID :18717955
Synonyms :

Calculated chemistry of [ 1956341-24-4 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 12
Num. arom. heavy atoms : 10
Fraction Csp3 : 0.1
Num. rotatable bonds : 0
Num. H-bond acceptors : 1.0
Num. H-bond donors : 1.0
Molar Refractivity : 51.11
TPSA : 38.91 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : Yes
P-gp substrate : No
CYP1A2 inhibitor : Yes
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -5.95 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.61
Log Po/w (XLOGP3) : 1.85
Log Po/w (WLOGP) : 2.13
Log Po/w (MLOGP) : 1.49
Log Po/w (SILICOS-IT) : 2.21
Consensus Log Po/w : 1.86

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.6
Solubility : 0.395 mg/ml ; 0.00249 mol/l
Class : Soluble
Log S (Ali) : -2.29
Solubility : 0.815 mg/ml ; 0.00515 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.72
Solubility : 0.0304 mg/ml ; 0.000192 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.26

Safety of [ 1956341-24-4 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:
Recommend Products
Same Skeleton Products

Technical Information

• 1,4-Addition of an Amine to a Conjugated Enone • 1,4-Addition of an Amine to a Conjugated Enone • Amides Can Be Converted into Aldehydes • Amine Synthesis from Nitriles • Amine Synthesis from Nitriles • Amines Convert Acyl Chlorides into Amides • Amines Convert Esters into Amides • Azide Reduction by LiAlH4 • Azide Reduction by LiAlH4 • Basicity of Amines • Buchwald-Hartwig C-N Bond and C-O Bond Formation Reactions • Chan-Lam Coupling Reaction • Chichibabin Reaction • Diazotization Reaction • DIBAL Attack Nitriles to Give Ketones • Enamine Formation • Formation of an Amide from an Amine and a Carboxylic Acid • Formation of an Amide from an Amine and a Carboxylic Acid • Hemiaminal Formation from Amines and Aldehydes or Ketones • Hemiaminal Formation from Amines and Aldehydes or Ketones • Hofmann Elimination • Hofmann Rearrangement • Hydride Reductions • Hydrolysis of Imines to Aldehydes and Ketones • Imine Formation from Amines and Aldehydes or Ketones • Leuckart-Wallach Reaction • Mannich Reaction • Methylation of Ammonia • Methylation of Ammonia • Nitrosation of Amines • Peptide Bond Formation with DCC • Petasis Reaction • Preparation of Amines • Preparation of LDA • Reactions of Amines • Reduction of an Amide to an Amine • Reduction of an Amide to an Amine • Reductive Amination • Reductive Amination • Ring Opening of Azacyclopropanes • Ring Opening of Azacyclopropanes • Ring Opening of Oxacyclobutanes • Specialized Acylation Reagents-Vilsmeier Reagent • Strecker Synthesis • Synthesis of 2-Amino Nitriles • Ugi Reaction
Historical Records

Related Functional Groups of
[ 1956341-24-4 ]

Amines

Chemical Structure| 134992-14-6

[ 134992-14-6 ]

3-Methylquinolin-5-amine

Similarity: 0.97

Chemical Structure| 50358-40-2

[ 50358-40-2 ]

8-Methylquinolin-5-amine

Similarity: 0.95

Chemical Structure| 929339-38-8

[ 929339-38-8 ]

6,8-Dimethylquinolin-4-amine

Similarity: 0.95

Chemical Structure| 893762-15-7

[ 893762-15-7 ]

8-Methylquinolin-4-amine

Similarity: 0.95

Chemical Structure| 19701-33-8

[ 19701-33-8 ]

3-Methylquinolin-4-amine

Similarity: 0.92

Related Parent Nucleus of
[ 1956341-24-4 ]

Quinolines

Chemical Structure| 134992-14-6

[ 134992-14-6 ]

3-Methylquinolin-5-amine

Similarity: 0.97

Chemical Structure| 50358-40-2

[ 50358-40-2 ]

8-Methylquinolin-5-amine

Similarity: 0.95

Chemical Structure| 929339-38-8

[ 929339-38-8 ]

6,8-Dimethylquinolin-4-amine

Similarity: 0.95

Chemical Structure| 893762-15-7

[ 893762-15-7 ]

8-Methylquinolin-4-amine

Similarity: 0.95

Chemical Structure| 19701-33-8

[ 19701-33-8 ]

3-Methylquinolin-4-amine

Similarity: 0.92

; ;